Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103190006
Common Name5α,10β-sibirene
Systematic Name(4aR,8aS)-4a-methyl-7-(propan-2-yl)-1-methylidene-1,2,3,4,4a,5,6,8a-
octahydronaphthalene eudesma-4(14),6-diene
Synonyms(4aR,8aS)-7-isopropyl-4a-methyl-1-methylene-1,2,3,4,4a,5,6,8a-
octahydronaphthalene
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Eudesmane sesquiterpenoids [PR010319]
PubChem Compound ID (CID)24798712
CHEBI ID49232
InChIKeyALUIZDJKPCNAGJ-LSDHHAIUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11,14H,3,5-9H2,1-
2,4H3/t14-,15+/m0/s1
SMILESCC(C)C1CC[C@@]2(C)CCCC(=C)[C@@H]2C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
238.06Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.73Molar
Refractivity
66.74    
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